Abstract:
New density functionals representing the exchange and correlation
energies (per electron) are employed, based on the electron gas
model, to calculate interaction potentials of noble gas systems X2
and XY, where X (and Y) are He,Ne,Ar and Kr, and of hydrogen atomrare
gas systems H-X. The exchange energy density functional is that
recommended by Handler and the correlation energy density functional
is a rational function involving two parameters which were optimized
to reproduce the correlation energy of He atom. Application of the
two parameter function to other rare gas atoms shows that it is "universal";
i. e. ,accurate for the systems considered. The potentials
obtained in this work compare well with recent experimental results
and are a significant improvement over those from competing statistical
modelS.
